1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone

C19H26N2O2 — CID 118583907

IUPAC1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone
SMILESCOc1ccc2c(c1)[C@@]13CCN(C(C)=O)C[C@H]1[C@@H](C2)N(C)CC3
InChIInChI=1S/C19H26N2O2/c1-13(22)21-9-7-19-6-8-20(2)18(17(19)12-21)10-14-4-5-15(23-3)11-16(14)19/h4-5,11,17-18H,6-10,12H2,1-3H3/t17-,18+,19+/m0/s1
InChIKeySNNHNVUTPCGORL-IPMKNSEASA-N
MW314.43 g/mol
LogP2.06
Rot. Bonds1

About 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone

1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone (PubChem CID 118583907) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone
PubChem CID118583907
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone
SMILESCOc1ccc2c(c1)[C@@]13CCN(C(C)=O)C[C@H]1[C@@H](C2)N(C)CC3
InChIInChI=1S/C19H26N2O2/c1-13(22)21-9-7-19-6-8-20(2)18(17(19)12-21)10-14-4-5-15(23-3)11-16(14)19/h4-5,11,17-18H,6-10,12H2,1-3H3/t17-,18+,19+/m0/s1
InChIKeySNNHNVUTPCGORL-IPMKNSEASA-N
XLogP2.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone?
The IUPAC name of 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone (CID 118583907) is 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone.
What is the SMILES notation for 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone?
The canonical SMILES for 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone is COc1ccc2c(c1)[C@@]13CCN(C(C)=O)C[C@H]1[C@@H](C2)N(C)CC3.
What is the InChIKey of 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone?
The InChIKey is SNNHNVUTPCGORL-IPMKNSEASA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(22)21-9-7-19-6-8-20(2)18(17(19)12-21)10-14-4-5-15(23-3)11-16(14)19/h4-5,11,17-18H,6-10,12H2,1-3H3/t17-,18+,19+/m0/s1.
What are the key properties of 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone?
1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,9R,10S)-4-methoxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanone is sourced from PubChem (CID 118583907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).